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Refine create_individual_features.py SLURM example

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Jan Kosinski
2024-11-15 17:34:01 +01:00
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parent 89e076edbd
commit d496910ffc
1 changed files with 3 additions and 9 deletions
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README.md
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@@ -719,20 +719,14 @@ Create the `create_individual_features_SLURM.sh` script and place the following
#SBATCH --ntasks=8
#SBATCH --mem=64000
module load HMMER/3.4-gompi-2023a
module load HH-suite/3.3.0-gompi-2023a
eval "$(conda shell.bash hook)"
module load CUDA/11.8.0
module load cuDNN/8.7.0.84-CUDA-11.8.0
conda activate AlphaPulldown
module load Mamba
source activate AlphaPulldown
# CUSTOMIZE THE FOLLOWING SCRIPT PARAMETERS FOR YOUR SPECIFIC TASK:
####
create_individual_features.py \
--fasta_paths=example_1_sequences.fasta \
--data_dir=/scratch/AlphaFold_DBs/2.3.2
/ \
--data_dir=/scratch/AlphaFold_DBs/2.3.2 \
--output_dir=/scratch/mydir/test_AlphaPulldown/ \
--max_template_date=2050-01-01 \
--skip_existing=True \